methyl 2-{2-[7-oxo-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[7-oxo-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
methyl 2-{2-[7-oxo-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F801-0419 |
| Compound Name: | methyl 2-{2-[7-oxo-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C19 H19 N5 O4 S |
| Smiles: | COC(c1ccccc1NC(CN1C=Nc2c(C1=O)sc(n2)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4595 |
| logD: | 2.4488 |
| logSw: | -3.0321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.179 |
| InChI Key: | NZEGGTRSACHBKG-UHFFFAOYSA-N |